1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane

C13H25ClN4 — CID 168942809

IUPAC1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane
SMILESCC.CN(C)Cc1nn2c(c1Cl)CN(C)CCC2
InChIInChI=1S/C11H19ClN4.C2H6/c1-14(2)7-9-11(12)10-8-15(3)5-4-6-16(10)13-9;1-2/h4-8H2,1-3H3;1-2H3
InChIKeyJRRBIXRWYHDMEP-UHFFFAOYSA-N
MW272.82 g/mol
LogP2.46
Rot. Bonds2

About 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane

1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane (PubChem CID 168942809) has the molecular formula C13H25ClN4 and a molecular weight of 272.82 g/mol. Its IUPAC name is 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane.

Molecular Properties

Compound Name1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane
PubChem CID168942809
Molecular FormulaC13H25ClN4
Molecular Weight272.82 g/mol
Exact Mass272.18
IUPAC Name1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane
SMILESCC.CN(C)Cc1nn2c(c1Cl)CN(C)CCC2
InChIInChI=1S/C11H19ClN4.C2H6/c1-14(2)7-9-11(12)10-8-15(3)5-4-6-16(10)13-9;1-2/h4-8H2,1-3H3;1-2H3
InChIKeyJRRBIXRWYHDMEP-UHFFFAOYSA-N
XLogP2.46
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-Chloro-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrazol-1-ium-3-yl]methanamine
CID 59826472
1-[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine
CID 59833744
1-[4-chloro-1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine
CID 59833745
5-(Azidomethyl)-4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 59833746
3-(Azidomethyl)-4-chloro-1-propan-2-yl-5-(trifluoromethyl)pyrazole
CID 59833760
1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine
CID 71053860
1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-2,2-difluoro-N,N-dimethylethenamine
CID 178966044
N-(2-bromoethyl)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,2-difluoroethanamine
CID 107487426
N-(2-bromoethyl)-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2,2-difluoroethanamine
CID 107487531
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine
CID 107487833
N-(2-chloroethyl)-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2,2-difluoroethanamine
CID 107487911
N-(2-bromoethyl)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 107488242

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane?
The IUPAC name of 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane (CID 168942809) is 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane.
What is the SMILES notation for 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane?
The canonical SMILES for 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane is CC.CN(C)Cc1nn2c(c1Cl)CN(C)CCC2.
What is the InChIKey of 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane?
The InChIKey is JRRBIXRWYHDMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4.C2H6/c1-14(2)7-9-11(12)10-8-15(3)5-4-6-16(10)13-9;1-2/h4-8H2,1-3H3;1-2H3.
What are the key properties of 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane?
1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane has a molecular weight of 272.82 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane is sourced from PubChem (CID 168942809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).